N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide

C13H19ClN2O3S — CID 113056288

IUPACN-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-11(17)16(10-8-15-20(2,18)19)9-7-12-3-5-13(14)6-4-12/h3-6,15H,7-10H2,1-2H3
InChIKeyLYAMBDRSWVUHCH-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.28
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide

N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 113056288) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID113056288
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-11(17)16(10-8-15-20(2,18)19)9-7-12-3-5-13(14)6-4-12/h3-6,15H,7-10H2,1-2H3
InChIKeyLYAMBDRSWVUHCH-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056293
N-[2-(butylsulfonylamino)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056291
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055790
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide
CID 113056238
N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113055933
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113056239
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-phenylethyl)acetamide
CID 113055627
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113056192
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide (CID 113056288) is N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide is CC(=O)N(CCNS(C)(=O)=O)CCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is LYAMBDRSWVUHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-11(17)16(10-8-15-20(2,18)19)9-7-12-3-5-13(14)6-4-12/h3-6,15H,7-10H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 318.83 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 113056288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).